N'-hydroxy-2-[4-(3-methylsulfanylpropyl)piperazin-1-yl]propanimidamide

C11H24N4OS — CID 113473628

IUPACN'-hydroxy-2-[4-(3-methylsulfanylpropyl)piperazin-1-yl]propanimidamide
SMILESCSCCCN1CCN(C(C)C(N)=NO)CC1
InChIInChI=1S/C11H24N4OS/c1-10(11(12)13-16)15-7-5-14(6-8-15)4-3-9-17-2/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyAKIMJIGWFRRPGD-UHFFFAOYSA-N
MW260.41 g/mol
LogP0.49
Rot. Bonds6

About N'-hydroxy-2-[4-(3-methylsulfanylpropyl)piperazin-1-yl]propanimidamide

N'-hydroxy-2-[4-(3-methylsulfanylpropyl)piperazin-1-yl]propanimidamide (PubChem CID 113473628) has the molecular formula C11H24N4OS and a molecular weight of 260.41 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(3-methylsulfanylpropyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(3-methylsulfanylpropyl)piperazin-1-yl]propanimidamide
PubChem CID113473628
Molecular FormulaC11H24N4OS
Molecular Weight260.41 g/mol
Exact Mass260.17
IUPAC NameN'-hydroxy-2-[4-(3-methylsulfanylpropyl)piperazin-1-yl]propanimidamide
SMILESCSCCCN1CCN(C(C)C(N)=NO)CC1
InChIInChI=1S/C11H24N4OS/c1-10(11(12)13-16)15-7-5-14(6-8-15)4-3-9-17-2/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyAKIMJIGWFRRPGD-UHFFFAOYSA-N
XLogP0.49
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(3-methylsulfanylpropyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(3-methylsulfanylpropyl)piperazin-1-yl]propanimidamide (CID 113473628) is N'-hydroxy-2-[4-(3-methylsulfanylpropyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(3-methylsulfanylpropyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(3-methylsulfanylpropyl)piperazin-1-yl]propanimidamide is CSCCCN1CCN(C(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(3-methylsulfanylpropyl)piperazin-1-yl]propanimidamide?
The InChIKey is AKIMJIGWFRRPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4OS/c1-10(11(12)13-16)15-7-5-14(6-8-15)4-3-9-17-2/h10,16H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[4-(3-methylsulfanylpropyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-[4-(3-methylsulfanylpropyl)piperazin-1-yl]propanimidamide has a molecular weight of 260.41 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(3-methylsulfanylpropyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 113473628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).